SCHEMBL17295311

SCHEMBL17295311

COc1cc(CCCN(Cc2cnc(C)n2C)c2ccc(C#N)cc2)ccc1-c1ccccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.37
▸ FNTA P49354 4/20 0.37
▸ FNTB P49356 4/20 0.37
▸ PGGT1B P53609 4/20 0.37
▸ EP300 Q09472 1/20 0.35
▸ CYP19A1 P11511 3/20 0.35
▸ KDM1A O60341 3/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ STS P08842 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17295273 0.92 NSD2 (0.34) NSD2FNTAFNTBPGGT1BEP300
SCHEMBL17295256 0.87 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL17295175 0.87 LTB4R2 (0.42) FNTAFNTBPGGT1B
SCHEMBL17302044 0.83 CYP19A1 (0.38) NSD2FNTAFNTBPGGT1BCYP19A1
SCHEMBL17295546 0.81 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL17295284 0.80 FNTA (0.41) FNTAFNTBPGGT1B
SCHEMBL17295221 0.80 FNTA (0.40) FNTAFNTBPGGT1B
SCHEMBL17295387 0.79 FNTA (0.42) FNTAFNTBPGGT1B
SCHEMBL17295310 0.77 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL17295282 0.76 FNTA (0.39) FNTAFNTBPGGT1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015181272-A1 RAB GERANYLGERANYL TRANSFERASE INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2015-12-03 — — WO claimed
WO-2015181272-A1 RAB GERANYLGERANYL TRANSFERASE INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2015-12-03 — — WO disclosed
WO-2015181272-A1 RAB GERANYLGERANYL TRANSFERASE INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2015-12-03 — — WO disclosed
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